Information card for entry 4089185

Structure parameters

• Formula: C32 H39 Co N P3
• Calculated formula: C32 H39 Co N P3
• SMILES: [N]12[Co]3([P](c4ccccc4)(c4ccccc4)c4ccccc4[CH]=13)([P](C)(C)C)([P](C)(C)C)C2c1ccccc1
• Title of publication: Formation of 2-Azaallyl Cobalt(I) Complexes by Csp3‒H Bond Activation
• Authors of publication: Xing, Junyang; Sun, Hongjian; Xue, Benjing; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 5
• Pages of publication: 975
• a: 8.3387 ± 0.0017 Å
• b: 11.621 ± 0.002 Å
• c: 15.844 ± 0.003 Å
• α: 94.46 ± 0.03°
• β: 93.61 ± 0.03°
• γ: 105.93 ± 0.03°
• Cell volume: 1466.2 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1674
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No